ethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate

C12H18N2O5 — CID 14371822

IUPACethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(=O)N(OC)C2=O
InChIInChI=1S/C12H18N2O5/c1-3-19-11(17)13-6-4-12(5-7-13)8-9(15)14(18-2)10(12)16/h3-8H2,1-2H3
InChIKeyIMFMBHILBFNCLB-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.55
Rot. Bonds2

About ethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate

ethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 14371822) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is ethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID14371822
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Nameethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(=O)N(OC)C2=O
InChIInChI=1S/C12H18N2O5/c1-3-19-11(17)13-6-4-12(5-7-13)8-9(15)14(18-2)10(12)16/h3-8H2,1-2H3
InChIKeyIMFMBHILBFNCLB-UHFFFAOYSA-N
XLogP0.55
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 14371822) is ethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate is CCOC(=O)N1CCC2(CC1)CC(=O)N(OC)C2=O.
What is the InChIKey of ethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is IMFMBHILBFNCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-3-19-11(17)13-6-4-12(5-7-13)8-9(15)14(18-2)10(12)16/h3-8H2,1-2H3.
What are the key properties of ethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
ethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 270.28 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 14371822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).